Reaction Details Report a problem with these data
Target
Kynurenine--oxoglutarate transaminase 1
Ligand
BDBM50324539
Substrate
n/a
Meas. Tech.
ChEMBL_649393 (CHEMBL1219091)
IC50
>30000±n/a nM
Citation
 Rossi, F; Valentina, C; Garavaglia, S; Sathyasaikumar, KV; Schwarcz, R; Kojima, S; Okuwaki, K; Ono, S; Kajii, Y; Rizzi, M Crystal structure-based selective targeting of the pyridoxal 5'-phosphate dependent enzyme kynurenine aminotransferase II for cognitive enhancement. J Med Chem 53:5684-9 (2010) [PubMed]  Article 
Target
Name:
Kynurenine--oxoglutarate transaminase 1
Synonyms:
CCBL1 | Cysteine-S-conjugate beta-lyase | Glutamine--phenylpyruvate transaminase | KAT1_HUMAN | KYAT1 | Kynurenine Aminotransferase 1/Glutamine Transaminase K | Kynurenine--oxoglutarate transaminase 1
Type:
Aminotransferase; Lyase
Mol. Mass.:
47874.00
Organism:
Homo sapiens (Human)
Description:
Recombinant hKAT-1 was expressed and purified from Sf9 insect cells.
Residue:
422
Sequence:
MAKQLQARRLDGIDYNPWVEFVKLASEHDVVNLGQGFPDFPPPDFAVEAFQHAVSGDFMLNQYTKTFGYPPLTKILASFFGELLGQEIDPLRNVLVTVGGYGALFTAFQALVDEGDEVIIIEPFFDCYEPMTMMAGGRPVFVSLKPGPIQNGELGSSSNWQLDPMELAGKFTSRTKALVLNTPNNPLGKVFSREELELVASLCQQHDVVCITDEVYQWMVYDGHQHISIASLPGMWERTLTIGSAGKTFSATGWKVGWVLGPDHIMKHLRTVHQNSVFHCPTQSQAAVAESFEREQLLFRQPSSYFVQFPQAMQRCRDHMIRSLQSVGLKPIIPQGSYFLITDISDFKRKMPDLPGAVDEPYDRRFVKWMIKNKGLVAIPVSIFYSVPHQKHFDHYIRFCFVKDEATLQAMDEKLRKWKVEL
  
Inhibitor
Name:
BDBM50324539
Synonyms:
(S)-(-)-9-(4-aminopiperazin-1-yl)-8-fluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-azaphenalene-5-carboxylic acid | CHEMBL1215659
Type:
Small organic molecule
Emp. Form.:
C17H19FN4O4
Mol. Mass.:
362.3556
SMILES:
C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r|
Structure:
Search PDB for entries with ligand similarity: